2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole

C17H15N3OS — CID 2809902

IUPAC2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1ccc(Sc2ncccc2-c2nnc(C3CC3)o2)cc1
InChIInChI=1S/C17H15N3OS/c1-11-4-8-13(9-5-11)22-17-14(3-2-10-18-17)16-20-19-15(21-16)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3
InChIKeyCAYFQZOKEBVOJC-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.47
Rot. Bonds4

About 2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 2809902) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID2809902
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1ccc(Sc2ncccc2-c2nnc(C3CC3)o2)cc1
InChIInChI=1S/C17H15N3OS/c1-11-4-8-13(9-5-11)22-17-14(3-2-10-18-17)16-20-19-15(21-16)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3
InChIKeyCAYFQZOKEBVOJC-UHFFFAOYSA-N
XLogP4.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole (CID 2809902) is 2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole is Cc1ccc(Sc2ncccc2-c2nnc(C3CC3)o2)cc1.
What is the InChIKey of 2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is CAYFQZOKEBVOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-11-4-8-13(9-5-11)22-17-14(3-2-10-18-17)16-20-19-15(21-16)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3.
What are the key properties of 2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 309.39 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2809902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).